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[Cu(乙二胺)₂(硝基甲酸盐)₂]和[Cd(乙二胺)₃](硝基甲酸盐)₂的晶体结构、热分解及感度性质

Crystal structures, thermal decompositions and sensitivity properties of [Cu(ethylenediamine)2(nitroformate)2] and [Cd(ethylenediamine)3](nitroformate)2.

作者信息

Yang Li, Zhang Jin, Zhang Tonglai, Zhang Jianguo, Cui Yan

机构信息

State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Haidian, Beijing, PR China.

出版信息

J Hazard Mater. 2009 May 30;164(2-3):962-7. doi: 10.1016/j.jhazmat.2008.08.096. Epub 2008 Sep 4.

DOI:10.1016/j.jhazmat.2008.08.096
PMID:18977591
Abstract

Two new coordination compounds [Cu(ethylenediamine)(2)(nitroformate)(2)] and Cd(ethylenediamine)(3)(2) were synthesized and characterized through elemental analysis, IR and UV spectra. Their crystal structures were determined through X-ray single crystal diffraction. The first compound crystallizes in the triclinic space group P1; the second one crystallizes in the orthorhombic space group Pbca. For the first compound, central Cu(II) ion is hexa-coordinated with two ethylenediamine ligand molecules and two nitroformate anions to form the centrosymmetric octahedral structure. For the second one, central Cd(II) ion is hexa-coordinated with three ethylenediamine ligand molecules to form the slightly distorted octahedra. Through hydrogen bonds, molecules are linked together to form the three-dimensional packing diagrams. Thermal decomposition mechanisms of these two compounds were predicted through DSC, TG-DTG and FTIR analyses. In addition, the impact sensitivity, friction sensitivity and flame sensitivity were measured. All observed properties show that the first one has high energy, good thermal stability and moderate flame sensitivity.

摘要

合成了两种新型配位化合物[Cu(乙二胺)₂(硝基甲酸盐)₂]和Cd(乙二胺)₃₂,并通过元素分析、红外光谱和紫外光谱对其进行了表征。通过X射线单晶衍射确定了它们的晶体结构。第一种化合物结晶于三斜空间群P1;第二种化合物结晶于正交空间群Pbca。对于第一种化合物,中心Cu(II)离子与两个乙二胺配体分子和两个硝基甲酸根阴离子六配位,形成中心对称的八面体结构。对于第二种化合物,中心Cd(II)离子与三个乙二胺配体分子六配位,形成轻微扭曲的八面体。通过氢键,分子连接在一起形成三维堆积图。通过DSC、TG-DTG和FTIR分析预测了这两种化合物的热分解机理。此外,还测量了冲击感度、摩擦感度和火焰感度。所有观察到的性质表明,第一种化合物具有高能量、良好的热稳定性和适度的火焰感度。

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